ChemSpider 2D Image | 2-(3,4-Difluorophenyl)nicotinic acid | C12H7F2NO2

2-(3,4-Difluorophenyl)nicotinic acid

  • Molecular FormulaC12H7F2NO2
  • Average mass235.186 Da
  • Monoisotopic mass235.044479 Da
  • ChemSpider ID25809636

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(3,4-Difluorophenyl)nicotinic acid [ACD/IUPAC Name]
2-(3,4-Difluorphenyl)nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-(3,4-difluorophenyl)- [ACD/Index Name]
Acide 2-(3,4-difluorophényl)nicotinique [French] [ACD/IUPAC Name]
1225511-07-8 [RN]
2-(3,4-Difluorophenyl)pyridine-3-carboxylic acid
95%
MFCD16318228
YA-6722

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 357.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.6±3.0 kJ/mol
    Flash Point: 169.8±26.5 °C
    Index of Refraction: 1.576
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.88
    ACD/LogD (pH 7.4): -0.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 168.9±3.0 cm3

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